(2S)-2-amino-2-(4-tert-butylphenyl)ethanol;hydrochloride

C12H20ClNO — CID 135564298

IUPAC(2S)-2-amino-2-(4-tert-butylphenyl)ethanol;hydrochloride
SMILESCC(C)(C)c1ccc([C@H](N)CO)cc1.Cl
InChIInChI=1S/C12H19NO.ClH/c1-12(2,3)10-6-4-9(5-7-10)11(13)8-14;/h4-7,11,14H,8,13H2,1-3H3;1H/t11-;/m1./s1
InChIKeyXZLMNRBNEGHVNB-RFVHGSKJSA-N
MW229.75 g/mol
LogP2.40
Rot. Bonds2

About (2S)-2-amino-2-(4-tert-butylphenyl)ethanol;hydrochloride

(2S)-2-amino-2-(4-tert-butylphenyl)ethanol;hydrochloride (PubChem CID 135564298) has the molecular formula C12H20ClNO and a molecular weight of 229.75 g/mol. Its IUPAC name is (2S)-2-amino-2-(4-tert-butylphenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-2-(4-tert-butylphenyl)ethanol;hydrochloride
PubChem CID135564298
Molecular FormulaC12H20ClNO
Molecular Weight229.75 g/mol
Exact Mass229.12
IUPAC Name(2S)-2-amino-2-(4-tert-butylphenyl)ethanol;hydrochloride
SMILESCC(C)(C)c1ccc([C@H](N)CO)cc1.Cl
InChIInChI=1S/C12H19NO.ClH/c1-12(2,3)10-6-4-9(5-7-10)11(13)8-14;/h4-7,11,14H,8,13H2,1-3H3;1H/t11-;/m1./s1
InChIKeyXZLMNRBNEGHVNB-RFVHGSKJSA-N
XLogP2.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-2-(4-tert-butylphenyl)ethanol
CID 55278122
2-amino-2-(4-propan-2-ylphenyl)ethanol;hydrochloride
CID 155487486
2-amino-2-[4-(2-methylsulfonylpropan-2-yl)phenyl]ethanol
CID 117115430
(1S)-1-(4-tert-butylphenyl)butan-1-amine;hydrochloride
CID 50999225
(3R)-3-amino-3-(4-tert-butylphenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171240277
(1R)-1-(4-tert-butylphenyl)but-3-en-1-amine;hydrochloride
CID 171201850
1-[4-(1-amino-2-hydroxyethyl)phenyl]-2-methylpropan-2-ol
CID 117115386
(2R)-2-amino-2-(4-chlorophenyl)ethanol;hydrochloride
CID 67033243
1-(4-tert-butylphenyl)-3-chloropropan-1-amine
CID 116937656
4-[(1R)-1-amino-2-hydroxyethyl]phenol
CID 45083049
1-(4-tert-butylphenyl)but-3-en-1-amine
CID 112693451
1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-1-amine
CID 105024260

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(4-tert-butylphenyl)ethanol;hydrochloride?
The IUPAC name of (2S)-2-amino-2-(4-tert-butylphenyl)ethanol;hydrochloride (CID 135564298) is (2S)-2-amino-2-(4-tert-butylphenyl)ethanol;hydrochloride.
What is the SMILES notation for (2S)-2-amino-2-(4-tert-butylphenyl)ethanol;hydrochloride?
The canonical SMILES for (2S)-2-amino-2-(4-tert-butylphenyl)ethanol;hydrochloride is CC(C)(C)c1ccc([C@H](N)CO)cc1.Cl.
What is the InChIKey of (2S)-2-amino-2-(4-tert-butylphenyl)ethanol;hydrochloride?
The InChIKey is XZLMNRBNEGHVNB-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H19NO.ClH/c1-12(2,3)10-6-4-9(5-7-10)11(13)8-14;/h4-7,11,14H,8,13H2,1-3H3;1H/t11-;/m1./s1.
What are the key properties of (2S)-2-amino-2-(4-tert-butylphenyl)ethanol;hydrochloride?
(2S)-2-amino-2-(4-tert-butylphenyl)ethanol;hydrochloride has a molecular weight of 229.75 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(4-tert-butylphenyl)ethanol;hydrochloride is sourced from PubChem (CID 135564298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).